Geometry & MOs

Info

ID:	144633
PubChem CID:	53390388
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	495.238273
ΔH_f, kcal/mol:	3.92
Dipole, Da:	4.81
IP(EA), eV:	-8.26(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-[[6-[3-(2-hydroxyethyl)-1H-indol-6-yl]imidazo[1,2-a]pyridin-8-yl]amino]pyridin-3-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(CO)C1=CC=C(C=C1)NC2=CC(=CN3C2=NC=C3)C4=CC5=C(C=C4)C(=CN5)CCO

DOS

IR

Vibrations